| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IROMYCIN AA
ID: ALA256051
Max Phase: Preclinical
Molecular Formula: C21H31NO3
Molecular Weight: 345.48
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): iromycin AA
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCc1c(C/C=C(\C)C/C=C/C(C)C)[nH]c(=O)c(C)c1OC(C)=O
Standard InChI: InChI=1S/C21H31NO3/c1-7-9-18-19(13-12-15(4)11-8-10-14(2)3)22-21(24)16(5)20(18)25-17(6)23/h8,10,12,14H,7,9,11,13H2,1-6H3,(H,22,24)/b10-8+,15-12+
Standard InChI Key: ASOGRXIMNDVVCK-VBONDNGNSA-N
Associated Targets(non-human)
Mitochondrial complex I; NADH oxidoreductase 130 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 345.48 | Molecular Weight (Monoisotopic): 345.2304 | AlogP: 4.65 | #Rotatable Bonds: 8 |
| Polar Surface Area: 59.16 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.49 | CX Basic pKa: | CX LogP: 4.26 | CX LogD: 4.26 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.55 | Np Likeness Score: 1.37 |
References
| 1. Surup F, Shojaei H, von Zezschwitz P, Kunze B, Grond S.. (2008) Iromycins from Streptomyces sp. and from synthesis: new inhibitors of the mitochondrial electron transport chain., 16 (4): [PMID:18054490] [10.1016/j.bmc.2007.11.023] |
Source
Source(1):